4-(4-methyl-3-nitrobenzoyl)-N'-nitropiperazine-1-carboximidamide
Chemical Structure Depiction of
4-(4-methyl-3-nitrobenzoyl)-N'-nitropiperazine-1-carboximidamide
4-(4-methyl-3-nitrobenzoyl)-N'-nitropiperazine-1-carboximidamide
Compound characteristics
| Compound ID: | 4877-0022 |
| Compound Name: | 4-(4-methyl-3-nitrobenzoyl)-N'-nitropiperazine-1-carboximidamide |
| Molecular Weight: | 336.3 |
| Molecular Formula: | C13 H16 N6 O5 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)C(\N)=N/[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2695 |
| logD: | 0.0202 |
| logSw: | -1.7443 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.098 |
| InChI Key: | JPMGYVHKYDAENF-UHFFFAOYSA-N |